COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK320220
Chemical Name: 2-[4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]ethyl3,5-dimethoxybenzoate
Smiles: COc1cc(OC)cc(c1)C(=O)OCCN1CCN(CC1)c1[nH]c2c(n1)n(C)c(=O)n(c2=O)C

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Saltdata: HCl
Molecular Weight: 472.5
Empirical Formula: C22H28N6O6

Physical State: Dry powder
Available Amount: 88 mg

Lipinsky:
logP: 1.568
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 120
Number of rings: 4

     

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